UCSF

ZINC43416415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.00 8.26 -60.25 1 5 1 72 265.381 9
Mid Mid (pH 6-8) 0.00 6.68 -16.35 0 5 0 71 264.373 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )